| Number |
mr1453 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
268.1048 |
| Exact mass(Da) |
268.1040 |
| Accurate mass error(ppm) |
2.88 |
| Molecular formula |
C10H13N5O4 |
| Ionization model |
|
| Ret. Time(min) |
3.45 |
| Precursor ions(Q1) |
268.1048 |
| Product ions(Q3) |
136.1 |
| Main fragments |
136.1, 191.0, 119.0 |
| Compound |
Adenosine |
| Identification |
standard |
| class |
Nucleic acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
51.09 |
| H2 |
0.44 |
| ChEBI_ID |
CHEBI:16335 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
Adenoscan;;Adenocor;;Adenocard;; |
| Beilstein Registry Numbers |
93029;; |
| BioModels Database Links |
BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;;BIOMD0000000015;; |
| CAS Registry Numbers |
58-61-7;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
adenosine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta1N9-glycosidic bond.;; |
| DrugBank Database Links |
DB00640;; |
| Formulae |
C10H13N5O4;; |
| Gmelin Registry Numbers |
53385;; |
| INN |
|
| IUPAC Names |
adenosine;; |
| InChI |
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1;; |
| InChIKey |
OIRDTQYFTABQOQ-KQYNXXCUSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.5.4.4;;EC 3.3.1.1;;EC 3.2.2.7;;EC 2.7.1.20;;EC 2.7.1.114;;EC 2.4.2.1;;EC 1.1.3.39;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00045 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
21 Apr 2016;; |
| Mass |
267.24152;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008157786;;WO2008157240;;WO2008149168;;WO2008136695;;WO2008135819;;WO2008131922;;WO2008124749;;WO2008116308;;WO2008108508;;WO2008107125;;WO2007136641;;WO2007134271;;WO2007128349;;WO2007123740;;WO2007121924;;WO2007121923;;WO2007121921;;WO2007121919;;WO2 |
| PubChem Database Links |
8143428;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9869364;;7686877;;7056808;;6656991;;323854;;23857558;;21848266;;21330412;;19309105;;18000974;;17190852;;16917093;;16183671;;16181825;;16181820;;16178799;;16177794;;16177183;;15882454;;15455468;;15116424;;15028034;;12927681;;11978011;;11820865;;11213237;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-749456;;R-HSA-749454;;R-HSA-744887;;R-HSA-744886;;R-HSA-74241;;R-HSA-727768;;R-HSA-727767;;R-HSA-727749;;R-HSA-727740;;R-HSA-5693346;;R-HSA-5684862;;R-HSA-5628807;;R-HSA-418925;;R-HSA-418904;;R-HSA-380073;;R-HSA-379044;;R-HSA-2161193;;R-HSA-187661;; |
| Rhea Database Links |
RHEA:46000;;RHEA:37343;;RHEA:29987;;RHEA:29375;;RHEA:27898;;RHEA:27642;;RHEA:24408;;RHEA:21708;;RHEA:20824;;RHEA:18669;;RHEA:18185;;RHEA:15489;;RHEA:14913;; |
| SABIO-RK Database Links |
8825;;8119;;81;;80;;7644;;738;;6925;;6915;;6651;;6650;;6;;574;;3057;;305;;295;;252;;195;;134;;133;;13271;;11643;;11642;;11641;;11266;;11265;;11061;;11044;;10734;; |
| SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O;; |
| Secondary ChEBI ID |
CHEBI:22237;;CHEBI:13734;;CHEBI:40911;;CHEBI:40906;;CHEBI:40825;;CHEBI:40558;;CHEBI:2472;; |
| Star |
3;; |
| Synonyms |
beta-delta-Adenosine;;beta-D-Adenosine;;beta-Adenosine;;b-D-Adenosine;;adenosine;;Sandesin;;Nucleocardyl;;Myocol;;Desoxyadenosine;;Deoxyadenosine;;Boniton;;Ado;;Adenyldeoxyriboside;;Adenosin;;Adenoscan;;Adenocor;;Adenocard;;Adenine-9beta-delta-Ribofuranos |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZWT1;;Q9ZVD5;;Q9ZPE9;;Q9ZNA5;;Q9ZLH0;;Q9ZL36;;Q9ZJK8;;Q9ZJI4;;Q9ZJ27;;Q9ZED0;;Q9ZEA8;;Q9ZCX5;;Q9ZCC6;;Q9ZBL0;;Q9ZB79;;Q9ZAH6;;Q9Z8Z0;;Q9Z8M5;;Q9Z774;;Q9Z6L5;;Q9Z1N4;;Q9Z1G4;;Q9Z0S1;;Q9YPS3;;Q9YEF2;;Q9YCX7;;Q9YCR6;;Q9Y9E3;;Q9Y872;;Q9Y663;;Q9Y662;;Q9Y661; |
| ChEBI Image |
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